Detail information of MoH2Cl2O3 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	MoH2Cl2O3
Full formula	Mo2H4Cl4O6
Tags	Molybdenum dioxide dichloride Hydrate
Constituent elements	Cl; H; Mo; O;
Number of elements	4
Number of sites	16
Volume	287.24547 Å³
Density	2.50730 g/cm³
Source	Materials Project

Space group

Spacegroup Number	31
Hermann Mauguin	Pmn21
Hall	P 2ac -2
Crystal System	Orthorhombic

Lattice Parameters

a	9.264 Å	b	3.930 Å	c	7.890 Å
α	90.000°	β	90.000°	γ	90.000°

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Calculated Energies

Total energy	Energy per atom	Formation energy per atom	Band gap	Total magnetization	Energy above hull
-82.45480 eV	-5.15343 eV	-1.52615 eV	2.62580 eV	0.00000 eV	0.00403 eV